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Chemical structure of Bay 41-4109 less active enantiomer

GC32197

Bay 41-4109 less active enantiomer

Also listed as Bay 41-4109 less active enantiomer (Bayer 41-4109 less active enantiomer)

Bay 41-4109 less active enantiomer shows less activity than Bay 41-4109

ChemicalCAS476617-51-3MW395.76FormulaC18H13ClF3N3O2
CAS number
476617-51-3
Molecular weight
395.76
Formula
C18H13ClF3N3O2
Solubility
DMSO : ≥ 37 mg/mL (93·49 mM)
InChIKey
FVNJBPMQWSIGJK-OAHLLOKOSA-N
Catalogue number
GC32197
Brand
GLPBIO
Computed properties PubChem CID 10188768 · XLogP 3.1 · TPSA 63.6 Ų · H-bond donors 1
XLogP
3.1
TPSA
63.6 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
27

SMILES CC1=C([C@H](N=C(N1)C2=C(C=C(C=N2)F)F)C3=C(C=C(C=C3)F)Cl)C(=O)OC

Computed descriptors from PubChem (CID 10188768), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Pricing
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Documents
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